1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-4-(4-methylbenzene-1-sulfonyl)-N-(3-methylbutyl)-6-oxopiperazine-2-carboxamide
Chemical Structure Depiction of
1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-4-(4-methylbenzene-1-sulfonyl)-N-(3-methylbutyl)-6-oxopiperazine-2-carboxamide
1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-4-(4-methylbenzene-1-sulfonyl)-N-(3-methylbutyl)-6-oxopiperazine-2-carboxamide
Compound characteristics
| Compound ID: | E646-2776 |
| Compound Name: | 1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-4-(4-methylbenzene-1-sulfonyl)-N-(3-methylbutyl)-6-oxopiperazine-2-carboxamide |
| Molecular Weight: | 489.68 |
| Molecular Formula: | C26 H39 N3 O4 S |
| Smiles: | CC(C)CCNC(C1(C)CN(CC(N1CCC1CCCCC=1)=O)S(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3446 |
| logD: | 4.3446 |
| logSw: | -3.9595 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.565 |
| InChI Key: | JPJVCWZFLDOJGK-SANMLTNESA-N |